SCHEMBL10050424

SCHEMBL10050424

[C-]#[N+]/N=C1\c2ccccc2-c2nc3cc(Oc4cc(F)c(F)c(F)c4)ccc3nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MAPK8 P45983 5/20 0.34
MAPK9 P45984 5/20 0.34
MAPK10 P53779 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 3/20 0.34
CSNK1D P48730 2/20 0.31
PIK3CG P48736 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10050429 0.89 MEN1 (0.41) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL10050427 0.87 TP53 (0.37) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL10050418 0.83 MAPT (0.39) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL10075007 0.82 TP53 (0.39) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL10050453 0.76 TP53 (0.36) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL10074522 0.76 TP53 (0.39) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL10050433 0.74 KDM4E (0.48) MAPTMAPK8MAPK9MAPK10SMN1; SMN2
SCHEMBL10050416 0.72 PIK3R1 (0.42) MAPTMAPK8MAPK9MAPK10SMN1; SMN2
SCHEMBL10050430 0.72 PIK3R1 (0.36) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL10050414 0.70 PIK3R1 (0.39) MAPTMAPK8MAPK9MAPK10SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 TP53 4223/4885ALDH1A1 1634/4885MEN1 658/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.